ethane-1,1-disulfonic acid;morpholine

C6H15NO7S2 — CID 174515789

IUPACethane-1,1-disulfonic acid;morpholine
SMILESC1COCCN1.CC(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H9NO.C2H6O6S2/c1-3-6-4-2-5-1;1-2(9(3,4)5)10(6,7)8/h5H,1-4H2;2H,1H3,(H,3,4,5)(H,6,7,8)
InChIKeyOURVBVAUATWINH-UHFFFAOYSA-N
MW277.32 g/mol
LogP-1.29
Rot. Bonds2

About ethane-1,1-disulfonic acid;morpholine

ethane-1,1-disulfonic acid;morpholine (PubChem CID 174515789) has the molecular formula C6H15NO7S2 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethane-1,1-disulfonic acid;morpholine.

Molecular Properties

Compound Nameethane-1,1-disulfonic acid;morpholine
PubChem CID174515789
Molecular FormulaC6H15NO7S2
Molecular Weight277.32 g/mol
Exact Mass277.03
IUPAC Nameethane-1,1-disulfonic acid;morpholine
SMILESC1COCCN1.CC(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H9NO.C2H6O6S2/c1-3-6-4-2-5-1;1-2(9(3,4)5)10(6,7)8/h5H,1-4H2;2H,1H3,(H,3,4,5)(H,6,7,8)
InChIKeyOURVBVAUATWINH-UHFFFAOYSA-N
XLogP-1.29
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,1-disulfonic acid;morpholine?
The IUPAC name of ethane-1,1-disulfonic acid;morpholine (CID 174515789) is ethane-1,1-disulfonic acid;morpholine.
What is the SMILES notation for ethane-1,1-disulfonic acid;morpholine?
The canonical SMILES for ethane-1,1-disulfonic acid;morpholine is C1COCCN1.CC(S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of ethane-1,1-disulfonic acid;morpholine?
The InChIKey is OURVBVAUATWINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H6O6S2/c1-3-6-4-2-5-1;1-2(9(3,4)5)10(6,7)8/h5H,1-4H2;2H,1H3,(H,3,4,5)(H,6,7,8).
What are the key properties of ethane-1,1-disulfonic acid;morpholine?
ethane-1,1-disulfonic acid;morpholine has a molecular weight of 277.32 g/mol, XLogP of -1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1-disulfonic acid;morpholine is sourced from PubChem (CID 174515789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).